Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSKANHAKTVICGIINVTPDSFSDGGQFFALEQALQQARKLIAEGASMLDIGGESTRPGSSYVEIEEEIQRVVPVIKAIRKESDVLISIDTWKSQVAEAALAAGADLVNDITGLMGDEKMPHVVAEARAQVVIMFNPVMARPQHPSSLIFPHFGFGQAFTEEELADFETLPIEELMEAFFERALARAAEAGIAPENILLDPGIGFGLTKKENLLLLRDLDKLHQKGYPIFLGVSRKRFVINILEENGFEVNPETELGFRNRDTASAHVTSIAARQGVEVVRVHDVAS-HRMAVEIASAIRLADEAENLDLKQYK 4DAI Chain:B ((39-285)) --------KTLIMGILN------SDGGSYNEVDAAVRHAKEMRDEGAHIIDIG-----------SVEEEIKRVVPMIQAVSKEVKLPISIDTYKAEVAKQAIEAGAHIINDIWGAKAEPKIAEVAAHYDVPIILMHN-------------------------RDNMNYRNLMADMIADLYDSIKIAK--DAGVRDENIILDPGIGFAKTPEQNLEAMRNLEQLNVLGYPVLLGTSRKSFIGHVL-----------DLPVEERLEGTGATVCLGIEKGCEFVRVHDVKEMSRMA----------------------

General information: TITO was launched using: RESULT: Template: 4DAI.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1268 -141341 -111.47 -617.21 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain B : 0.76 3D Compatibility (PKB) : -111.47 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.554

(partial model without unconserved sides chains): PDB file : Tito_4DAI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4DAI-query.scw PDB file : Tito_Scwrl_4DAI.pdb: